CID 119085257

(8-chloroquinolin-3-yl)boronic acid

Structural Information

Molecular Formula
C9H7BClNO2
SMILES
B(C1=CC2=C(C(=CC=C2)Cl)N=C1)(O)O
InChI
InChI=1S/C9H7BClNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5,13-14H
InChIKey
DFMJICZJZCFADB-UHFFFAOYSA-N
Compound name
(8-chloroquinolin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.02583 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03311 138.6
[M+Na]+ 230.01505 153.4
[M+NH4]+ 225.05965 147.5
[M+K]+ 245.98899 146.8
[M-H]- 206.01855 140.2
[M+Na-2H]- 228.00050 145.5
[M]+ 207.02528 141.5
[M]- 207.02638 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.